7-methoxy-1-methyl-9H-pyrido[3,4-b]indol-9-ium chloride

C13H13ClN2O — CID 22382

IUPAC7-methoxy-1-methyl-9H-pyrido[3,4-b]indol-9-ium chloride
SMILESCOc1ccc2c(c1)[NH2+]c1c-2ccnc1C.[Cl-]
InChIInChI=1S/C13H12N2O.ClH/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13;/h3-7,15H,1-2H3;1H
InChIKeyVNPLYCKZIUTKJM-UHFFFAOYSA-N
MW248.71 g/mol
LogP-1.09
Rot. Bonds1

About 7-methoxy-1-methyl-9H-pyrido[3,4-b]indol-9-ium chloride

7-methoxy-1-methyl-9H-pyrido[3,4-b]indol-9-ium chloride (PubChem CID 22382) has the molecular formula C13H13ClN2O and a molecular weight of 248.71 g/mol. Its IUPAC name is 7-methoxy-1-methyl-9H-pyrido[3,4-b]indol-9-ium chloride.

Molecular Properties

Compound Name7-methoxy-1-methyl-9H-pyrido[3,4-b]indol-9-ium chloride
PubChem CID22382
Molecular FormulaC13H13ClN2O
Molecular Weight248.71 g/mol
Exact Mass248.07
IUPAC Name7-methoxy-1-methyl-9H-pyrido[3,4-b]indol-9-ium chloride
SMILESCOc1ccc2c(c1)[NH2+]c1c-2ccnc1C.[Cl-]
InChIInChI=1S/C13H12N2O.ClH/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13;/h3-7,15H,1-2H3;1H
InChIKeyVNPLYCKZIUTKJM-UHFFFAOYSA-N
XLogP-1.09
TPSA38.73 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 5-1.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

Harmaline
CID 3564
Harmine
CID 5280953
Arvelexin
CID 119406
Harmine Hydrochloride
CID 5359389
4-Methoxy-1H-indole
CID 138363
2-(2-Aminoethyl)-5-methoxyindole
CID 17654
6-Methoxy-1H-indole
CID 76659
7-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 599482
9-Methoxy-6H-indolo(3,2,1-de)(1,5)naphthyridin-6-one
CID 9881423
5-Methoxytryptoline
CID 169160
1H-Indole-3-ethanamine, 5-methoxy-, hydrochloride (1:?)
CID 6198
Harmaline Hydrochloride Dihydrate
CID 2723643

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1-methyl-9H-pyrido[3,4-b]indol-9-ium chloride?
The IUPAC name of 7-methoxy-1-methyl-9H-pyrido[3,4-b]indol-9-ium chloride (CID 22382) is 7-methoxy-1-methyl-9H-pyrido[3,4-b]indol-9-ium chloride.
What is the SMILES notation for 7-methoxy-1-methyl-9H-pyrido[3,4-b]indol-9-ium chloride?
The canonical SMILES for 7-methoxy-1-methyl-9H-pyrido[3,4-b]indol-9-ium chloride is COc1ccc2c(c1)[NH2+]c1c-2ccnc1C.[Cl-].
What is the InChIKey of 7-methoxy-1-methyl-9H-pyrido[3,4-b]indol-9-ium chloride?
The InChIKey is VNPLYCKZIUTKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O.ClH/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13;/h3-7,15H,1-2H3;1H.
What are the key properties of 7-methoxy-1-methyl-9H-pyrido[3,4-b]indol-9-ium chloride?
7-methoxy-1-methyl-9H-pyrido[3,4-b]indol-9-ium chloride has a molecular weight of 248.71 g/mol, XLogP of -1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1-methyl-9H-pyrido[3,4-b]indol-9-ium chloride is sourced from PubChem (CID 22382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).